4-(2-ethylhexanoylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(2-ethylhexanoylamino)-3-methyl-benzoic acid Openeye Name: 4-(2-ethylhexanoylamino)-3-methyl-benzoic acid CAS Name: 4-[(2-ethyl-1-oxohexyl)amino]-3-methylbenzoic acid IUPAC Name: 4-(2-ethylhexanoylamino)-3-methylbenzoic acid Traditional Name: 4-(2-ethylhexanoylamino)-3-methyl-benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C16H23NO3/c1-4-6-7-12(5-2)15(18)17-14-9-8-13(16(19)20)10-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20)